Compound Detail
CHEMBL2112608
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2112608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPJUXGCWOZCVCP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
491.4
MW (Da)
4.92
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 10.7 | 10.7 | 0.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.02 | nM | 10.7 | Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue | 8246241 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 3.1 | nM | 8.51 | In vitro binding affinity on 5-hydroxytryptamine 2 receptor is inhibition of bin... | 8246241 |
| Adrenergic receptor alpha-2 | Ki | = | 1900.0 | nM | 5.72 | In vitro binding affinity on alpha-2 receptor is inhibition of binding of [3H]- ... | 8246241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8246241 | 10.1021/jm00075a028 | D(2) dopamine receptor | 1 |
| 8246241 | 10.1021/jm00075a028 | Serotonin 2 (5-HT2) receptor | 1 |
| 8246241 | 10.1021/jm00075a028 | Adrenergic receptor alpha-2 | 1 |
| 8246241 | 10.1021/jm00075a028 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine